>compound Agmatine_Agmatine
#instrument UPLC Q-Tof Premier, Waters
>formula C5H14N4
#smiles NCCCCNC(N)=N
#RECORD LC-ESI-QTOF_train_data/PR100066.txt;LC-ESI-QTOF_train_data/PR100307.txt
>charge 1
>ionization [M+H]+
>parentmass 131.12964

>collision 5-60
72.0798 10.97
131.1256 323.7

>collision 5-60
60.057 56.72
72.0814 459.2
99.5115 77.04
114.1031 162.4
115.9658 93.44
131.1296 177.0

